6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

C7H12N4O2 — CID 102537359

IUPAC6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NN)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-4(2)11-6(12)3-5(10-8)9-7(11)13/h3-4,10H,8H2,1-2H3,(H,9,13)
InChIKeyMPSDMKSBNREMDP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.60
Rot. Bonds2

About 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 102537359) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID102537359
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NN)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-4(2)11-6(12)3-5(10-8)9-7(11)13/h3-4,10H,8H2,1-2H3,(H,9,13)
InChIKeyMPSDMKSBNREMDP-UHFFFAOYSA-N
XLogP-0.60
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 102537359) is 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(NN)[nH]c1=O.
What is the InChIKey of 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is MPSDMKSBNREMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(2)11-6(12)3-5(10-8)9-7(11)13/h3-4,10H,8H2,1-2H3,(H,9,13).
What are the key properties of 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102537359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).